Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f71c2c6f49a7c8aabd5907643fcbad20",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 53.93,
"b": 53.93,
"c": 465.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.12709],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.850],
"number_observations_unique": 35480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 35.100
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 18.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 46268,
"number_observations_unique": 2336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 19.340
},
{
"type": "Completeness",
"value": 90.400
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 51932,
"number_observations_unique": 2481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 23.680
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 50571,
"number_observations_unique": 2404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 26.250
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations": 48532,
"number_observations_unique": 2366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 29.400
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations": 45802,
"number_observations_unique": 2259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 31.040
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [2.210,2.140],
"number_observations": 44040,
"number_observations_unique": 2197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 33.590
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations": 42170,
"number_observations_unique": 2150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 35.050
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [2.390,2.290],
"number_observations": 40426,
"number_observations_unique": 2083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 36.340
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations": 38817,
"number_observations_unique": 2022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 37.810
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [2.620,2.490],
"number_observations": 36318,
"number_observations_unique": 1919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 38.760
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [2.760,2.620],
"number_observations": 34254,
"number_observations_unique": 1856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 40.080
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [2.930,2.760],
"number_observations": 32044,
"number_observations_unique": 1756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 41.490
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [3.130,2.930],
"number_observations": 30064,
"number_observations_unique": 1689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 43.060
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [3.380,3.130],
"number_observations": 27521,
"number_observations_unique": 1582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 44.590
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [3.700,3.380],
"number_observations": 24413,
"number_observations_unique": 1428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 44.990
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [4.140,3.700],
"number_observations": 22485,
"number_observations_unique": 1359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 44.790
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [4.780,4.140],
"number_observations": 17472,
"number_observations_unique": 1197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 42.680
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [5.850,4.780],
"number_observations": 14778,
"number_observations_unique": 1038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 41.590
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [8.270,5.850],
"number_observations": 11625,
"number_observations_unique": 846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 40.800
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [50,8.270],
"number_observations": 5640,
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 36.250
},
{
"type": "Completeness",
"value": 86.100
}
]
}
]
}